Gaussian 03 Online Manual | |
The Job Title SectionThis section is required in the input, but is not interpreted in any way by the Gaussian 03 program. It appears in the output for purposes of identification and description. Typically, this section might contain the compound name, its symmetry, the electronic state, and any other relevant information. The title section cannot exceed five lines and must be followed by a terminating blank line. Since archive entries resulting from calculations using a general basis set or the ReadWindow keyword do not contain the original input data for these options, it is strongly recommended that the title sections for these jobs include a complete description of the basis set or frozen-core selection used. The following characters should be avoided in the title section: @ # ! - _ \ all control characters, and especially ^G. Click here to go on to the next section. |